REMARK  Name = BDB009270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.879   0.163   0.897  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.296  -0.123   1.605  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.213   0.895   1.909  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.916   2.210   1.525  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.262   2.500   0.834  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.160   1.480   0.520  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.879  -1.929   1.333  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.818  -0.952   0.597  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.565  -0.822  -0.557  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.272  -0.137  -1.241  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.438  -1.897  -0.991  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.418  -1.461  -2.085  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.321  -0.298  -1.731  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1        5.975  -0.221  -0.490  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        6.823   0.853  -0.190  0.00  0.00    +0.060 A 
ATOM     16 CL   LIG    1        7.576   0.872   1.366  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        7.036   1.858  -1.137  0.00  0.00    +0.059 A 
ATOM     18 CL   LIG    1        8.066   3.214  -0.840  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        6.405   1.782  -2.381  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        5.559   0.710  -2.677  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.476   0.590   2.682  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.313  -0.530   2.071  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.094  -0.278   0.819  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.120   1.083   0.181  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.227   1.240  -0.867  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.304   0.018  -1.772  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.576  -1.250  -0.959  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.770  -1.322   0.308  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.745  -2.636   0.999  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -5.359  -3.606   0.565  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.006  -2.694   2.148  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -3.968  -3.584   2.633  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.287  -1.674   2.688  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6